{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.26541 0.4689135 1.770405 ] [ 0.1075881 2.160004 0.6716672 ] [ 0.5668509 2.899878 2.242644 ] [ 2.824031 1.222886 2.646945 ] [ 2.932592 2.399832 0.52394 ] [ 1.820297 2.092873 2.325497 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.26541e-10 4.689135e-11 1.770405e-10 ] [ 1.075881e-11 2.160004e-10 6.716672e-11 ] [ 5.668509000000001e-11 2.899878e-10 2.242644e-10 ] [ 2.824031e-10 1.222886e-10 2.646945e-10 ] [ 2.932592e-10 2.399832e-10 5.2394e-11 ] [ 1.820297e-10 2.092873e-10 2.325497e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -23.1645206 -76.3681241 -6.8167354 ] [ -37.3726601 -0.4970456 -38.9573535 ] [ -80.4648499 75.5302866 26.0889428 ] [ 89.6089643 -65.1665171 41.9841826 ] [ 42.1069445 19.7756288 -41.054951 ] [ 9.2861218 46.7257714 18.7559145 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.711365333735998e-08 -1.223552230073731e-07 -1.092161408805974e-08 ] [ -5.987760226932499e-08 -7.963548397915085e-10 -6.241656098594106e-08 ] [ -1.289189013059612e-07 1.210128593528435e-07 4.179909421554849e-08 ] [ 1.435693876155618e-07 -1.044082701565834e-07 6.726607580511815e-08 ] [ 6.746276205122314e-08 3.168405012497916e-08 -6.577728266028959e-08 ] [ 1.487800724586121e-08 7.486293852592528e-08 3.005028771362372e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 97.878085 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.568179794756752e-17 } "relaxed-configuration-positions" { "source-value" [ [ 1.0487782 -0.1956888 1.5286997 ] [ 0.3387395 1.7998186 0.4249931 ] [ 0.1759958 3.2320055 2.4656666 ] [ 2.685873 0.6368472 3.0609591 ] [ 2.6092002 2.7920645 0.1049397 ] [ 2.6581823 2.9793395 2.5958399 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0487782e-10 -1.956888e-11 1.5286997e-10 ] [ 3.387395e-11 1.7998186e-10 4.249931e-11 ] [ 1.759958e-11 3.2320055e-10 2.4656666e-10 ] [ 2.685873e-10 6.368471999999999e-11 3.0609591e-10 ] [ 2.6092002e-10 2.7920645e-10 1.049397e-11 ] [ 2.6581823e-10 2.9793395e-10 2.5958399e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.47e-05 -1.4e-05 1.57e-05 ] [ -4.78e-05 -1.8e-05 -4.17e-05 ] [ 6.3e-06 -6.6e-06 2.67e-05 ] [ 6e-06 1.01e-05 -4.31e-05 ] [ 4.81e-05 -1.56e-05 4.59e-05 ] [ 2.1e-06 4.4e-05 -3.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.355199632576e-14 -2.24304726912e-14 2.515417294656e-14 ] [ -7.658404247424001e-14 -2.88391791744e-14 -6.681076508736e-14 ] [ 1.009371271104e-14 -1.057436569728e-14 4.277811577536e-14 ] [ 9.6130597248e-15 1.618198387008e-14 -6.905381235648e-14 ] [ 7.706469546047999e-14 -2.499395528448e-14 7.353990689472e-14 ] [ 3.36457090368e-15 7.04957713152e-14 -5.76783583488e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.132746 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.104097860810472e-18 } }